3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C10H12N2O — CID 130657509

IUPAC3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESC=CCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C10H12N2O/c1-2-6-12-7-11-9-5-3-4-8(9)10(12)13/h2,7H,1,3-6H2
InChIKeyRXXFZZGCQGDLSF-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.92
Rot. Bonds2

About 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 130657509) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID130657509
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESC=CCn1cnc2c(c1=O)CCC2
InChIInChI=1S/C10H12N2O/c1-2-6-12-7-11-9-5-3-4-8(9)10(12)13/h2,7H,1,3-6H2
InChIKeyRXXFZZGCQGDLSF-UHFFFAOYSA-N
XLogP0.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 130657509) is 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is C=CCn1cnc2c(c1=O)CCC2.
What is the InChIKey of 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is RXXFZZGCQGDLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-6-12-7-11-9-5-3-4-8(9)10(12)13/h2,7H,1,3-6H2.
What are the key properties of 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 176.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 130657509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).